# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 K C C 146.38 2.92 13.62 18.00 114.19 -153.97 -97.39 123.84 99.54 0.44 0.02 99.53 0.13 0.03 0.01 0.00 0.00 0.27 0.04 1 I C C 99.11 7.24 9.00 17.70 117.79 -162.74 -104.88 130.44 85.18 13.59 1.22 84.38 0.83 0.79 0.54 0.40 0.00 10.17 2.89 2 R C C 153.63 3.25 10.59 15.73 116.10 -150.69 -97.16 130.49 80.46 17.75 1.79 72.31 4.66 2.73 0.69 1.04 0.00 14.74 3.84 3 T C C 93.05 5.04 9.66 16.58 115.76 -169.78 -106.78 133.63 86.49 11.93 1.59 68.60 13.91 3.63 0.54 1.17 0.00 8.71 3.44 4 S C C 55.54 5.41 9.90 17.21 121.52 -122.69 -99.20 145.45 95.63 3.34 1.03 74.27 19.88 1.62 0.42 0.57 0.00 1.97 1.28 5 P C C 98.07 3.84 10.90 16.28 98.58 -111.70 -65.94 -19.78 76.26 1.23 22.51 33.26 13.38 29.72 3.91 18.52 0.00 0.67 0.54 6 T C T 92.61 4.08 12.00 17.23 97.90 64.23 -83.47 -7.85 72.30 2.37 25.33 23.17 15.81 34.45 4.45 19.78 0.01 1.29 1.05 7 F C C 93.67 10.00 9.13 19.81 111.96 80.04 -92.80 116.99 69.27 5.68 25.05 34.69 19.16 16.34 4.58 19.75 0.02 2.99 2.47 8 R C C 152.41 3.03 13.53 17.98 116.75 -145.64 -97.60 137.49 84.24 5.34 10.42 57.32 19.82 7.02 4.12 6.12 0.00 2.78 2.81 9 R C C 132.46 6.89 11.36 19.88 115.54 -114.99 -81.31 136.89 95.94 2.17 1.90 72.38 22.21 1.33 1.37 0.56 0.00 0.96 1.19 10 P C C 55.42 10.17 9.83 21.13 112.36 -107.27 -65.40 148.71 82.82 1.80 15.38 70.96 4.59 7.49 9.58 5.49 0.00 0.98 0.91 11 K C C 157.92 1.71 13.50 15.66 94.96 -129.44 -69.14 -25.01 68.57 2.48 28.95 34.36 18.22 16.34 17.44 11.21 0.02 1.23 1.18 12 T C C 72.53 5.09 11.95 18.48 104.94 55.23 -93.03 5.86 60.01 5.79 34.20 32.14 15.77 12.77 20.96 12.78 0.07 3.37 2.13 13 L C C 77.39 8.02 10.53 19.87 100.39 78.98 -76.08 -18.70 53.50 6.22 40.29 33.95 11.56 8.15 25.18 15.27 0.04 4.17 1.69 14 R C C 136.91 4.09 13.30 18.68 97.40 83.73 -73.20 -21.64 51.99 8.05 39.96 33.93 9.21 8.60 24.45 16.01 0.05 5.85 1.91 15 L C C 80.87 7.94 10.32 19.60 100.19 69.23 -78.50 -14.15 49.79 8.99 41.22 32.27 8.95 8.83 21.55 19.78 0.06 6.45 2.10 16 R C C 153.16 3.62 12.10 17.13 98.47 76.89 -74.71 -19.09 60.37 7.85 31.78 33.38 13.37 14.02 16.65 15.00 0.10 5.22 2.26 17 R C C 154.91 3.19 11.97 16.59 109.34 50.23 -93.84 102.06 71.54 6.69 21.77 38.51 17.65 16.06 9.45 11.72 0.05 3.94 2.61 18 Q C C 103.10 6.26 10.45 18.47 116.25 101.36 -91.35 135.59 97.34 1.99 0.67 67.99 28.70 0.88 0.31 0.29 0.00 1.04 0.77 19 P C C 73.81 7.40 10.08 19.07 113.67 -107.48 -64.67 148.11 95.90 1.40 2.70 73.52 8.10 14.18 0.63 2.09 0.00 0.82 0.66 20 K C C 155.76 2.25 13.14 16.30 100.67 -131.85 -80.18 -16.28 95.52 2.55 1.92 48.51 32.03 14.92 0.34 1.71 0.00 1.22 1.27 21 Y C S 108.21 7.91 9.90 19.27 116.75 38.71 -115.20 125.30 97.16 2.42 0.41 45.39 51.16 0.94 0.14 0.21 0.00 1.07 1.07 22 P C C 80.44 5.22 12.30 19.21 112.46 -117.59 -68.58 147.44 93.94 2.23 3.83 81.49 6.53 5.94 1.00 2.69 0.00 1.30 1.04 23 R C C 136.72 6.77 10.04 18.25 113.84 -111.72 -81.36 135.66 87.33 5.27 7.40 63.51 12.50 10.57 2.01 5.66 0.00 2.55 3.20 24 K C C 152.41 2.67 11.97 15.99 101.14 -141.50 -80.50 -10.18 88.40 3.72 7.88 41.38 27.56 19.76 1.67 6.05 0.00 1.97 1.60 25 S C C 78.45 3.29 11.46 16.30 114.24 27.62 -101.25 136.17 89.78 3.76 6.46 43.58 30.14 16.21 1.56 4.78 0.00 1.78 1.95 26 A C C 56.89 7.83 9.36 18.63 118.59 -142.77 -93.46 142.58 96.43 2.12 1.45 59.77 35.41 1.54 0.72 0.63 0.00 0.91 1.03 27 P C C 81.30 5.23 11.12 18.11 112.43 -104.10 -66.10 148.42 91.40 1.89 6.72 76.07 8.19 7.27 2.50 3.91 0.00 1.05 1.01 28 R C C 156.55 3.80 10.38 16.09 111.30 -114.99 -80.83 132.13 85.34 3.60 11.06 65.51 10.30 9.14 4.35 6.73 0.00 1.80 2.17 29 R C C 156.08 4.17 10.01 15.91 105.57 -140.27 -83.40 58.38 77.40 3.55 19.05 41.68 17.19 19.15 6.24 12.13 0.01 1.77 1.83 30 N C C 111.59 3.83 10.73 16.08 105.86 56.21 -88.92 70.30 76.98 2.52 20.50 34.74 20.09 23.09 6.42 13.15 0.01 1.21 1.28 31 K C C 142.68 3.10 12.53 17.08 104.72 110.54 -88.45 41.05 74.55 3.15 22.29 42.78 17.06 14.95 9.43 12.59 0.01 1.52 1.68 32 L C C 73.82 10.99 10.39 21.93 112.79 113.49 -88.16 127.78 78.58 3.12 18.30 54.71 15.68 8.04 11.53 6.80 0.00 1.41 1.83 33 D C C 73.54 6.41 16.05 23.38 111.07 -152.76 -85.53 121.17 81.85 2.05 16.10 69.14 7.33 5.28 11.72 4.44 0.00 1.02 1.08 34 H H H 86.62 12.61 14.35 27.19 94.93 -137.89 -65.91 -25.92 35.86 1.36 62.78 7.98 7.20 19.11 38.41 25.87 0.13 0.83 0.46 35 Y H H 105.60 10.31 16.84 27.60 93.60 63.45 -74.76 -19.02 31.00 2.14 66.86 6.01 5.24 17.92 40.55 28.05 0.16 1.56 0.51 36 A H H 37.58 10.34 17.45 28.91 94.63 68.89 -72.47 -20.83 28.05 3.85 68.10 8.74 7.11 11.57 40.20 28.45 0.11 3.23 0.59 37 I H H 43.81 16.31 17.99 33.91 98.51 58.67 -82.97 -25.26 32.25 19.67 48.08 10.86 8.63 14.08 33.19 14.36 0.84 15.90 2.15 38 I E E 36.33 18.02 17.25 35.13 114.87 61.18 -101.79 118.16 24.80 53.04 22.16 13.45 6.19 6.61 17.85 6.25 0.60 42.34 6.70 39 K E E 93.62 11.42 20.27 31.49 115.14 -160.47 -103.27 125.21 39.54 52.94 7.52 27.80 8.38 3.74 6.51 2.30 0.10 45.78 5.38 40 F C C 72.41 13.54 18.71 32.26 123.39 24.51 -124.07 133.92 65.34 34.13 0.53 48.74 16.25 0.74 0.35 0.26 0.00 31.54 2.13 41 P C C 54.24 12.63 19.79 32.34 113.57 -110.06 -68.84 146.27 75.62 23.47 0.91 68.74 5.00 1.29 0.33 0.56 0.00 21.55 2.55 42 L C C 47.44 17.46 17.32 34.07 102.41 -129.45 -80.84 29.90 86.03 10.36 3.61 53.51 22.70 10.41 1.15 2.45 0.01 6.83 2.95 43 T C C 50.63 15.00 16.20 30.68 109.80 78.03 -102.35 73.55 89.51 6.61 3.89 53.10 27.00 9.96 1.46 2.32 0.00 3.45 2.71 44 T C C 53.36 7.34 16.60 25.15 127.58 149.78 -105.86 163.43 90.57 3.94 5.49 55.34 33.06 2.21 4.40 1.19 0.00 1.19 2.60 45 E H H 136.97 2.94 15.45 19.64 92.08 -106.95 -60.34 -37.37 14.17 0.21 85.62 3.53 4.58 7.37 80.98 3.26 0.08 0.08 0.12 46 S H H 63.79 2.94 18.34 21.34 92.04 53.24 -64.94 -39.95 11.17 0.17 88.66 2.45 1.91 7.18 83.98 4.23 0.08 0.09 0.08 47 A H H 11.08 17.19 13.52 31.27 92.32 49.69 -66.00 -40.42 6.54 0.18 93.28 2.48 1.08 3.38 88.34 4.51 0.03 0.12 0.05 48 M H H 56.58 13.30 15.87 29.52 91.98 53.32 -63.60 -40.74 4.95 0.18 94.87 2.13 0.87 2.33 91.39 3.09 0.02 0.12 0.04 49 K H H 119.84 1.88 21.07 21.50 92.03 51.81 -64.31 -40.68 7.77 0.38 91.84 3.00 1.33 4.04 88.76 2.47 0.05 0.26 0.10 50 K H H 81.06 7.39 17.93 26.36 92.31 50.45 -66.16 -39.84 9.35 0.72 89.94 3.86 1.69 4.67 86.72 2.32 0.08 0.48 0.20 51 I H H 25.72 18.70 12.52 30.73 92.75 50.51 -65.93 -41.11 9.03 0.94 90.03 4.49 1.67 3.79 86.57 2.56 0.06 0.64 0.24 52 E H H 120.71 4.56 17.17 22.84 93.27 50.10 -66.60 -37.82 11.15 0.47 88.38 3.44 1.60 6.57 84.57 3.26 0.10 0.31 0.15 53 D H H 109.57 1.49 17.32 17.96 95.74 45.12 -79.48 -28.81 18.76 0.27 80.97 2.73 2.48 13.96 77.68 2.73 0.14 0.13 0.14 54 N H H 76.91 8.56 15.48 24.87 100.33 27.69 -99.84 4.84 46.94 0.35 52.71 6.43 9.37 30.85 50.60 2.31 0.07 0.12 0.26 55 N C T 80.17 9.45 18.35 28.60 96.39 -128.45 55.57 39.00 98.29 1.12 0.60 33.22 12.37 52.87 0.16 0.34 0.00 0.90 0.13 56 T C E 19.26 17.27 18.77 36.34 127.13 135.48 -114.27 147.77 52.40 47.53 0.06 45.64 5.17 0.23 0.01 0.05 0.00 48.15 0.74 57 L E E 13.62 20.29 23.30 43.41 116.60 -133.95 -94.82 131.12 10.98 89.01 0.01 10.66 0.30 0.02 0.00 0.01 0.00 88.74 0.28 58 V E E 14.99 20.64 24.77 44.69 121.49 -161.71 -113.69 130.43 3.23 96.77 0.00 3.15 0.06 0.00 0.00 0.00 0.00 96.73 0.05 59 F E E 9.27 23.21 23.94 46.43 126.30 -171.41 -122.38 138.92 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 60 I E E 33.59 16.41 26.92 43.09 115.78 -146.59 -102.31 124.43 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 61 V E E 4.97 24.50 18.96 43.61 128.90 -174.24 -125.31 146.16 2.10 97.90 0.00 2.12 0.05 0.00 0.00 0.00 0.00 97.73 0.09 62 D E E 40.56 10.84 24.02 35.50 110.45 -109.66 -72.42 130.71 36.37 63.58 0.04 36.20 0.58 0.05 0.01 0.03 0.00 62.58 0.55 63 V C T 47.30 17.46 16.35 33.69 91.67 -135.14 -64.83 -22.78 97.77 1.27 0.96 0.87 5.03 92.26 0.04 0.81 0.00 0.87 0.12 64 K C T 140.39 2.72 22.17 25.18 92.59 61.47 -86.93 -3.57 98.83 0.41 0.76 0.86 4.41 93.67 0.03 0.70 0.00 0.28 0.05 65 A C C 11.10 20.96 10.36 31.19 117.22 117.89 -69.77 144.23 98.34 1.27 0.39 56.70 41.39 0.42 0.12 0.22 0.00 0.53 0.61 66 N C C 79.90 3.68 23.79 26.38 122.09 -127.24 -84.16 160.10 96.36 3.47 0.17 95.93 0.63 0.04 0.11 0.01 0.00 0.65 2.63 67 K H H 92.21 15.05 14.39 28.89 91.50 -108.53 -58.58 -38.55 0.93 0.00 99.07 0.09 0.08 0.63 99.08 0.12 0.00 0.00 0.00 68 H H H 126.19 2.18 21.59 23.07 91.59 53.53 -64.06 -40.56 0.44 0.00 99.56 0.03 0.02 0.33 99.52 0.10 0.00 0.00 0.00 69 Q H H 67.58 8.81 20.58 30.00 91.91 49.12 -65.51 -40.82 0.11 0.00 99.89 0.01 0.01 0.07 99.84 0.07 0.00 0.00 0.00 70 I H H 2.34 26.37 15.16 42.27 91.19 49.73 -63.59 -43.57 0.05 0.00 99.95 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 71 K H H 77.99 13.58 21.74 34.48 91.47 51.34 -62.05 -42.22 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 72 Q H H 96.09 2.51 25.99 27.15 91.50 49.74 -64.11 -42.15 0.11 0.00 99.89 0.00 0.00 0.10 99.89 0.01 0.00 0.00 0.00 73 A H H 9.21 15.76 20.45 37.19 91.38 50.14 -63.86 -43.01 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 74 V H H 2.62 25.86 16.40 42.76 91.67 49.48 -64.61 -42.65 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 75 K H H 100.78 8.84 19.82 29.10 91.84 51.53 -63.83 -40.35 0.16 0.00 99.84 0.01 0.01 0.13 99.76 0.09 0.00 0.00 0.00 76 K H H 131.70 2.82 21.70 24.28 93.02 48.87 -68.74 -37.91 0.56 0.00 99.44 0.01 0.01 0.55 99.22 0.19 0.00 0.00 0.00 77 L H H 40.40 16.01 17.31 33.02 98.77 37.14 -84.13 -35.74 2.56 0.00 97.43 0.04 0.09 2.46 97.25 0.15 0.00 0.00 0.00 78 Y H H 33.90 19.14 15.24 34.01 109.46 18.79 -120.34 11.97 25.39 0.15 74.46 2.25 5.17 17.37 74.52 0.47 0.06 0.04 0.12 79 D C T 110.76 2.54 22.44 25.04 96.64 -120.95 39.46 50.45 99.61 0.13 0.26 31.51 11.49 56.68 0.11 0.10 0.00 0.08 0.03 80 I C C 15.72 21.61 11.61 33.08 128.40 139.16 -118.39 148.90 90.55 9.41 0.03 82.51 7.88 0.14 0.01 0.02 0.00 8.95 0.50 81 D C C 80.07 4.32 25.61 29.95 110.99 -128.05 -91.80 120.91 78.67 21.30 0.02 78.29 0.70 0.06 0.00 0.01 0.00 20.56 0.36 82 V E E 18.44 23.50 12.39 35.43 112.44 -152.20 -88.26 124.39 17.80 82.16 0.05 18.64 0.26 0.02 0.01 0.03 0.00 79.96 1.07 83 A E E 52.17 6.20 21.59 28.50 99.34 -171.53 -84.93 -35.53 16.70 83.23 0.07 8.67 7.64 0.65 0.00 0.07 0.00 82.83 0.13 84 K E E 94.28 5.11 24.20 30.02 138.85 -3.52 -152.21 151.72 4.56 95.41 0.03 2.90 1.18 0.18 0.00 0.03 0.00 95.68 0.04 85 V E E 32.90 22.07 13.58 34.67 123.75 -159.08 -125.10 129.28 4.16 95.83 0.01 3.80 0.16 0.01 0.00 0.00 0.00 96.00 0.04 86 N E E 58.50 8.01 23.24 31.69 128.52 -175.95 -127.55 144.49 1.68 98.32 0.00 1.47 0.07 0.00 0.00 0.00 0.00 98.43 0.02 87 T E E 44.00 16.00 16.23 32.10 122.11 -148.57 -109.74 135.04 0.82 99.18 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.23 0.01 88 L E E 45.93 10.94 18.06 30.42 124.49 -169.12 -121.89 139.19 0.36 99.64 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.66 0.01 89 I E E 80.29 8.21 15.23 25.09 114.85 -141.19 -101.87 123.30 0.94 99.06 0.00 0.91 0.03 0.00 0.00 0.00 0.00 98.84 0.23 90 R C C 72.13 9.45 10.33 21.45 122.40 -148.10 -85.03 162.71 96.73 3.26 0.01 97.04 0.24 0.03 0.00 0.00 0.00 2.52 0.16 91 P C T 117.35 1.75 10.80 13.75 90.76 -102.99 -59.82 -27.41 98.72 0.20 1.08 0.45 2.55 95.67 0.02 1.16 0.00 0.13 0.03 92 D C T 116.88 1.03 11.60 12.50 92.39 56.00 -86.19 0.22 98.91 0.05 1.04 0.25 2.12 96.53 0.02 1.04 0.00 0.02 0.01 93 G C S 44.78 3.82 12.29 17.74 98.37 -102.14 88.40 6.09 98.67 0.38 0.95 13.92 82.90 2.05 0.06 0.75 0.00 0.18 0.15 94 E C C 79.25 6.43 13.16 21.63 118.30 137.09 -77.96 145.83 96.37 3.61 0.02 95.37 1.47 0.08 0.00 0.01 0.00 2.56 0.50 95 K E E 79.40 11.47 15.08 27.63 119.88 -131.78 -101.83 137.76 1.44 98.55 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.37 0.23 96 K E E 60.25 12.98 19.43 32.81 132.03 -174.65 -131.39 149.55 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 97 A E E 12.41 19.05 19.03 38.34 124.32 -152.30 -114.45 139.17 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 98 Y E E 40.38 14.89 23.22 38.39 125.17 -166.90 -122.21 138.00 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 99 V E E 10.23 22.10 19.68 41.83 121.96 -159.67 -115.94 132.02 1.34 98.66 0.00 1.24 0.02 0.00 0.00 0.00 0.00 98.73 0.01 100 R E E 88.90 10.93 25.94 36.96 119.30 -158.65 -108.49 130.85 3.05 96.95 0.00 2.85 0.08 0.00 0.00 0.00 0.00 96.99 0.08 101 L E E 18.00 22.09 14.80 36.71 117.03 -133.74 -83.53 139.98 16.66 83.33 0.01 16.35 0.37 0.01 0.00 0.00 0.00 79.88 3.39 102 A C C 28.45 9.67 17.22 28.76 115.73 -109.11 -67.87 150.13 97.99 1.99 0.02 97.39 0.87 0.06 0.00 0.01 0.00 1.53 0.14 103 P C T 94.68 5.62 14.69 21.89 92.63 -104.82 -60.14 -29.25 98.76 0.34 0.90 1.26 5.52 92.10 0.07 0.74 0.00 0.20 0.10 104 D C T 122.94 1.09 17.57 17.45 95.02 51.78 -86.58 4.65 98.76 0.23 1.01 2.48 4.62 91.72 0.10 0.87 0.00 0.15 0.06 105 Y C C 50.27 18.55 10.09 27.62 116.06 113.68 -87.03 132.86 93.74 3.17 3.08 76.31 14.55 2.48 1.33 1.67 0.00 1.24 2.42 106 D C C 81.20 5.25 23.08 28.31 108.05 -159.16 -99.26 104.49 92.93 1.90 5.17 87.91 2.60 2.93 3.68 1.00 0.00 0.81 1.09 107 A H H 15.83 22.09 14.32 35.70 94.40 -158.90 -65.25 -30.23 27.84 1.05 71.11 16.42 5.17 8.64 63.13 5.60 0.04 0.62 0.37 108 L H H 68.89 10.31 19.25 29.94 92.55 60.45 -64.98 -37.62 14.88 0.54 84.58 6.27 2.83 6.77 78.10 5.46 0.05 0.36 0.17 109 D H H 75.95 4.17 22.03 26.01 92.70 51.76 -67.49 -36.85 11.74 0.61 87.65 6.86 1.86 4.12 80.79 5.74 0.02 0.45 0.15 110 V H H 12.44 19.03 16.18 35.46 92.66 53.48 -65.53 -42.21 5.62 0.33 94.05 2.68 1.04 2.48 90.37 3.10 0.02 0.23 0.07 111 A H H 19.44 17.45 15.11 32.47 91.84 52.12 -62.85 -41.43 5.00 0.24 94.75 1.95 0.77 2.56 91.61 2.85 0.03 0.18 0.05 112 N H H 113.89 1.96 19.09 20.82 92.49 50.23 -66.89 -35.26 8.77 0.21 91.02 1.89 1.07 6.03 87.26 3.49 0.06 0.14 0.07 113 K H H 117.62 5.31 17.08 23.35 93.50 50.77 -71.98 -31.73 15.44 0.28 84.28 2.25 1.94 11.64 80.82 2.95 0.11 0.15 0.12 114 I H H 44.17 16.60 12.25 28.16 98.26 46.81 -87.89 -11.62 34.86 0.96 64.18 5.17 6.09 24.41 61.00 2.23 0.19 0.43 0.48 115 G C C 48.36 4.22 17.34 22.46 101.04 -115.43 73.65 24.52 95.50 0.58 3.92 47.86 2.09 45.80 3.03 0.63 0.00 0.33 0.27 116 I C C 60.31 15.64 12.60 27.62 110.41 148.66 -90.73 115.13 99.76 0.21 0.03 99.67 0.13 0.04 0.01 0.00 0.00 0.12 0.02